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Couplage vibronique et anisotropie paramagnétique dans un complexe cubique 2 T 2 soumis à un champ trigonal

Vibronic coupling and paramagnetic anisotropy of a cubic complex2T2 subjected to a trigonal field

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Abstract

The influence of vibronic coupling on the average paramagnetism and the paramagnetic anisotropy of a cubic complex, the electronic ground state 2T2 of which is perturbed by a trigonal field, is investigated. It is necessary to introduce the following parameters: the spin-orbit coupling coefficient λ, the vibronic coupling coefficient x, the frequency ħω g3 of the E modes of vibration, the splitting Δ of the 2 T 2 level in the trigonal field and the covalence parameter k.

For given x and \(\varrho \left( { = \frac{{3\lambda }}{{2h\omega _\varepsilon }}} \right)\), the influence of the vibronic coupling is more important if in the trigonal field the electronic ground state of the complex is 2E than if it is 2A. For given x and v (=Δ/λ), the smaller ¦ρ¦, the greater the influence of vibronic coupling. The respective effects of vibronic coupling and covalence are compared. Finally, the case of the first row transition-metal complexes is briefly discussed.

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Authors and Affiliations

  1. Ecole Nationale Supérieure de Chimie de Paris, 11, rue Pierre et Marie Curie, 75.005, Paris, France

    O. Kahn

  2. School of Chemical Sciences, University of East Anglia, Norwich, England

    S. F. A. Kettle

Authors
  1. O. Kahn
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  2. S. F. A. Kettle
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Kahn, O., Kettle, S.F.A. Couplage vibronique et anisotropie paramagnétique dans un complexe cubique 2 T 2 soumis à un champ trigonal. Theoret. Chim. Acta 29, 359–374 (1973). https://doi.org/10.1007/BF00532191

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  • DOI: https://doi.org/10.1007/BF00532191

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